2,7-dimethyl-1,5-dihydropyrazolo[5,4-d]pyrimidine-2,7-diium-4-one

C7H10N4O+2 — CID 22642534

IUPAC2,7-dimethyl-1,5-dihydropyrazolo[5,4-d]pyrimidine-2,7-diium-4-one
SMILESC[n+]1cc2c(=O)[nH]c[n+](C)c2[nH]1
InChIInChI=1S/C7H8N4O/c1-10-4-8-7(12)5-3-11(2)9-6(5)10/h3-4H,1-2H3/p+2
InChIKeyYHLNDMJQWWVJDJ-UHFFFAOYSA-P
MW166.18 g/mol
LogP-1.49
Rot. Bonds

About 2,7-dimethyl-1,5-dihydropyrazolo[5,4-d]pyrimidine-2,7-diium-4-one

2,7-dimethyl-1,5-dihydropyrazolo[5,4-d]pyrimidine-2,7-diium-4-one (PubChem CID 22642534) has the molecular formula C7H10N4O+2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2,7-dimethyl-1,5-dihydropyrazolo[5,4-d]pyrimidine-2,7-diium-4-one.

Molecular Properties

Compound Name2,7-dimethyl-1,5-dihydropyrazolo[5,4-d]pyrimidine-2,7-diium-4-one
PubChem CID22642534
Molecular FormulaC7H10N4O+2
Molecular Weight166.18 g/mol
Exact Mass166.08
IUPAC Name2,7-dimethyl-1,5-dihydropyrazolo[5,4-d]pyrimidine-2,7-diium-4-one
SMILESC[n+]1cc2c(=O)[nH]c[n+](C)c2[nH]1
InChIInChI=1S/C7H8N4O/c1-10-4-8-7(12)5-3-11(2)9-6(5)10/h3-4H,1-2H3/p+2
InChIKeyYHLNDMJQWWVJDJ-UHFFFAOYSA-P
XLogP-1.49
TPSA56.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-1.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-1,5-dihydropyrazolo[5,4-d]pyrimidine-2,7-diium-4-one?
The IUPAC name of 2,7-dimethyl-1,5-dihydropyrazolo[5,4-d]pyrimidine-2,7-diium-4-one (CID 22642534) is 2,7-dimethyl-1,5-dihydropyrazolo[5,4-d]pyrimidine-2,7-diium-4-one.
What is the SMILES notation for 2,7-dimethyl-1,5-dihydropyrazolo[5,4-d]pyrimidine-2,7-diium-4-one?
The canonical SMILES for 2,7-dimethyl-1,5-dihydropyrazolo[5,4-d]pyrimidine-2,7-diium-4-one is C[n+]1cc2c(=O)[nH]c[n+](C)c2[nH]1.
What is the InChIKey of 2,7-dimethyl-1,5-dihydropyrazolo[5,4-d]pyrimidine-2,7-diium-4-one?
The InChIKey is YHLNDMJQWWVJDJ-UHFFFAOYSA-P. The full InChI is InChI=1S/C7H8N4O/c1-10-4-8-7(12)5-3-11(2)9-6(5)10/h3-4H,1-2H3/p+2.
What are the key properties of 2,7-dimethyl-1,5-dihydropyrazolo[5,4-d]pyrimidine-2,7-diium-4-one?
2,7-dimethyl-1,5-dihydropyrazolo[5,4-d]pyrimidine-2,7-diium-4-one has a molecular weight of 166.18 g/mol, XLogP of -1.49, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-1,5-dihydropyrazolo[5,4-d]pyrimidine-2,7-diium-4-one is sourced from PubChem (CID 22642534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).